COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK168520
Chemical Name: 2-[(2E)-2-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}hydrazinyl]-N-(4-nitrophenyl)-2-oxoacetamide
Smiles: Clc1cccc(c1)n1c(C)cc(c1C)/C=N/NC(=O)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 439.86
Empirical Formula: C21H18ClN5O4

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 5.385
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 121
Number of rings: 3

     

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